SCHEMBL5488959

SCHEMBL5488959

CCP(=O)(CC)OCCOP(=O)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.39
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARD Q03181 2/20 0.35
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5485248 0.88 CYP3A4 (0.48) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL5491463 0.88 CYP3A4 (0.48) TSHRCYP3A4TP53TDP1LPAR3
SCHEMBL575364 0.88 CYP3A4 (0.42) TSHRCYP3A4TP53TDP1PPARD
SCHEMBL27820035 0.83 PLA2G2D (0.37) TSHRCYP3A4TP53TDP1PPARD
SCHEMBL20672347 0.83 PPARD (0.44) TSHRCYP3A4TP53TDP1PPARD
SCHEMBL575803 0.83 CYP3A4 (0.64) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL28228018 0.81 LPAR3 (0.58) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL564170 0.80
SCHEMBL4259628 0.80 TSHR (0.43) TSHRCYP3A4TP53TDP1PPARD
SCHEMBL31065565 0.79 LPAR3 (0.61) CYP3A4LPAR3LPAR1LPAR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087270-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-7169511-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-30 US disclosed
EP-1555711-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2005-07-20 EP disclosed
US-20050014071-A1 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-01-20 US disclosed